Urea, 1-acetyl-3-ethylnitroso-
Basic information
- CAS
52217-47-7- Standard SMILES
CCN(N=O)C(=O)NC(C)=O- InChIKey
POAPJNZDGNPIOM-UHFFFAOYSA-N- Molecular formula
- C5H9N3O3
- Average molar mass
- 159.14 g/mol
- Monoisotopic mass
- 159.06439116
Names & identifiers
- Preferred name
- Urea, 1-acetyl-3-ethylnitroso-
- IUPAC
- N-[ethyl(nitroso)carbamoyl]acetamide
- English name
- 1-Acetyl-3-ethyl-3-nitrosourea
- Molecular formula
- C5H9N3O3
- Molecular weight
- 159.14
Names & synonyms
N'-Acetyl ethylnitrosoureaUrea, 1-acetyl-3-ethylnitroso-52217-47-7Acetamide, N-((ethylnitrosoamino)carbonyl)-DTXSID20200267RefChem:387555DTXCID201227581-Acetyl-3-ethyl-3-nitrosourean-[ethyl(nitroso)carbamoyl]acetamideDB-259361Acetamide, N-[(ethylnitrosoamino)carbonyl]-
Database identifiers
- CAS
52217-47-7- PubChem CID
- 104121
- DTXSID
DTXSID20200267- Nikkaji
- J58.061I
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 78.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 180
Physicochemical properties
- Boiling point
- 284.62 °C · 284.62°C (rough estimate)
- Density
- 1.4194 · 1.4194 (rough estimate)
- refractive index
- 1.619 · 1.6190 (estimate)
- pka
- 10.87 · 10.87±0.70(Predicted)
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Related reactions
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Compound notes
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